1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane

C19H26N4 — CID 120841687

IUPAC1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESc1ccc(-n2ccnc2CN2CCNCC23CCCCC3)cc1
InChIInChI=1S/C19H26N4/c1-3-7-17(8-4-1)23-14-12-21-18(23)15-22-13-11-20-16-19(22)9-5-2-6-10-19/h1,3-4,7-8,12,14,20H,2,5-6,9-11,13,15-16H2
InChIKeyXAYQDANXMKCYDH-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.98
Rot. Bonds3

About 1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane

1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 120841687) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID120841687
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESc1ccc(-n2ccnc2CN2CCNCC23CCCCC3)cc1
InChIInChI=1S/C19H26N4/c1-3-7-17(8-4-1)23-14-12-21-18(23)15-22-13-11-20-16-19(22)9-5-2-6-10-19/h1,3-4,7-8,12,14,20H,2,5-6,9-11,13,15-16H2
InChIKeyXAYQDANXMKCYDH-UHFFFAOYSA-N
XLogP2.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane (CID 120841687) is 1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane is c1ccc(-n2ccnc2CN2CCNCC23CCCCC3)cc1.
What is the InChIKey of 1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is XAYQDANXMKCYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-3-7-17(8-4-1)23-14-12-21-18(23)15-22-13-11-20-16-19(22)9-5-2-6-10-19/h1,3-4,7-8,12,14,20H,2,5-6,9-11,13,15-16H2.
What are the key properties of 1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane?
1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 310.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 120841687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).